SCHEMBL23601076

SCHEMBL23601076

Cc1cccc2c1OCCN2c1nc2nncn2c2ccc(F)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
POLB P06746 1/20 0.39
PIK3CD O00329 2/20 0.35
MAP3K5 Q99683 2/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ESR1 P03372 1/20 0.33
DHODH Q02127 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CYP17A1 P05093 1/20 0.32
CYP1A2 P05177 1/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
PIK3CA P42336 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23577938 0.89 MAPT (0.33) MAPTPOLBMAP3K5GAASMN1; SMN2
SCHEMBL29909214 0.89 MAPT (0.33) MAPTPOLBMAP3K5GAASMN1; SMN2
SCHEMBL23601548 0.85 PIK3CD (0.35) MAPTPIK3CDDHODHCYP17A1CYP1A2
SCHEMBL23601746 0.84 MAPT (0.38) MAPTPOLBPIK3CDMAP3K5GAA
SCHEMBL23601255 0.83 MAPT (0.39) MAPTPOLBPIK3CDTP53HPGD
SCHEMBL23601741 0.83 SMN1; SMN2 (0.32) MAPTSMN1; SMN2
SCHEMBL23601843 0.83 MAPT (0.32) MAPTSMN1; SMN2
SCHEMBL23577851 0.83 MAP3K14 (0.31) MAPT
SCHEMBL24721316 0.83 SMN1; SMN2 (0.32) MAPTSMN1; SMN2
SCHEMBL29909157 0.83 MAPT (0.32) MAPTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed